1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

C23H29N5O5S — CID 66609940

IUPAC1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H29N5O5S/c29-22(27-12-14-33-15-13-27)19-7-10-28(11-8-19)34(31,32)21-5-3-20(4-6-21)26-23(30)25-17-18-2-1-9-24-16-18/h1-6,9,16,19H,7-8,10-15,17H2,(H2,25,26,30)
InChIKeyJYOYQIOVUZODAD-UHFFFAOYSA-N
MW487.58 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66609940) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66609940
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC Name1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C23H29N5O5S/c29-22(27-12-14-33-15-13-27)19-7-10-28(11-8-19)34(31,32)21-5-3-20(4-6-21)26-23(30)25-17-18-2-1-9-24-16-18/h1-6,9,16,19H,7-8,10-15,17H2,(H2,25,26,30)
InChIKeyJYOYQIOVUZODAD-UHFFFAOYSA-N
XLogP1.66
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea (CID 66609940) is 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is JYOYQIOVUZODAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c29-22(27-12-14-33-15-13-27)19-7-10-28(11-8-19)34(31,32)21-5-3-20(4-6-21)26-23(30)25-17-18-2-1-9-24-16-18/h1-6,9,16,19H,7-8,10-15,17H2,(H2,25,26,30).
What are the key properties of 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 487.58 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66609940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).